
def load_dfitm(dbinstance):

    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-61.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=62.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-81.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=21.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=1.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-91.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-21.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-111.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-23.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=4.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-15.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-103.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-13.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-16.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-107.8434)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=3.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9439)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4940)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-92.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-24.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-10.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=3.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5415)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9272)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=4.2691)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.7909)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-23.5734)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2485)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-16.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=8.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1719)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-21.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-11.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-19.4001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-13.5103)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-100.3586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-20.5306)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-23.0825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8492)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-19.6442)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B3LYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8088)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-16.3663)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.5887)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.4655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.1547)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.2288)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.3087)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-21.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.0668)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.5631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-3.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-8.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-18.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-22.4795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.7959)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-6.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-5.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=8.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-10.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-4.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9174)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-20.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-22.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.8862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-4.1443)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=1.6330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-4.5062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-25.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.1137)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.7644)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-3.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-3.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-5.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-3.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-6.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.6217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.3963)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-106.4213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=5.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-5.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-0.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-16.4647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-2.1390)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B3LYPD3M', mode='dfhf_CP', basis='adz', value=-1.6718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.1212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9880)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4770)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6745)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1504)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.3831)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-121.8814)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2278)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.0560)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9696)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6490)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4492)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1520)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0868)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-124.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-121.0065)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9063)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=85.3361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=63.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8260)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6734)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4560)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.6196)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6692)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0797)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.9864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B3LYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6008)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-102.4340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1996)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6086)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2222)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7433)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-103.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=7.7199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-100.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-114.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.4818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3382)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.0293)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0981)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5127)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4831)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-100.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-90.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-70.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=10.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=3.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=2.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=3.9022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=12.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=63.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-118.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=2.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-81.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-122.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-27.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-125.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-99.6150)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-107.2085)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8317)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.8857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-77.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=59.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-118.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-13.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=10.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-123.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.3268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-88.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=3.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=9.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-121.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-80.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.5455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-105.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=13.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-99.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-96.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-97.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6064)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=19.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2969)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.3093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5508)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-123.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-117.0081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9302)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9484)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-99.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-118.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-114.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-81.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=3.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=3.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-79.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=8.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=2.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-108.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1953)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-124.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.6061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2727)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6354)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-82.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.2904)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.9894)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6075)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8406)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=12.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-118.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-93.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-117.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=62.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=7.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=6.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-94.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2452)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0495)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.0513)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0225)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.3052)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9353)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-86.0345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-87.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3556)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7329)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=3.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=5.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9498)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-93.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.9932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8266)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2097)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7557)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=23.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.5033)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6798)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-123.2071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.3647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7576)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=2.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7501)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=84.0597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7930)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=5.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-113.7528)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9851)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=8.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=85.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-124.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-120.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=84.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=64.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=8.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=62.4146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-100.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=1.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-105.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-97.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=13.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.8510)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2684)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-79.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5988)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=61.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-123.2432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-118.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=9.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.1376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1650)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8686)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4074)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6660)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=5.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1721)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=5.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5747)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1999)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-86.9013)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.6289)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2366)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=71.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=4.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-101.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-105.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=2.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-87.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.9737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=5.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=6.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=11.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5976)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-27.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0770)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=8.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=81.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=5.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9460)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5410)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1499)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7956)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3496)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B97D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0752)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=63.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-80.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-16.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=21.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-89.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-20.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-110.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-23.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.1543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2535)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3132)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7690)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4162)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-14.9484)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-101.9716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6054)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=6.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-102.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=7.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-110.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-100.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-113.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4888)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.9275)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4406)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-14.3332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-110.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3879)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-12.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.7170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-95.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-89.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=59.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=8.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-22.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-100.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-90.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-22.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-70.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=10.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=3.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3470)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=3.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.9950)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0235)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-16.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=3.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=12.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4226)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=63.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-117.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-91.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.3978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-115.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4451)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-81.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-121.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-26.6645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-125.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-15.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-99.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-106.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-13.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-108.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-106.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.2567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-77.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.4116)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.8167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.2351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.2456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4252)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4202)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=59.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-117.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-13.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-25.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-23.5484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=10.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-122.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1762)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-91.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-23.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6158)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.7575)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3487)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9304)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1598)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5422)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-88.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.9663)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=9.2337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.5870)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1069)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0226)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-105.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-120.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-114.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-111.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-16.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-109.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-25.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-104.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.2672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.2022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9475)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-15.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9891)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=13.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-98.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9725)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-96.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-23.4262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8721)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0494)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2035)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=19.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-14.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7174)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1714)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-16.6231)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-22.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4751)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-20.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-114.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-16.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-107.8304)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-122.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6462)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7427)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-81.6125)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4571)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-12.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-98.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-109.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-118.1312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-81.5790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5677)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.7696)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7998)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-16.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-16.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=8.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-9.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8118)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-92.4237)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2937)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.3218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6490)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5538)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-12.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6596)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-118.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3343)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4865)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-94.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7981)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0794)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-13.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6998)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-113.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=55.4083)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=10.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2094)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-82.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1281)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2633)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-116.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3992)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-110.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-20.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-92.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=3.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-12.0739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-23.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-112.0585)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.0749)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-23.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2657)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6134)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.6833)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-9.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2656)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2774)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.0634)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5389)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7454)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.8265)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-117.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-92.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6851)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8643)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8989)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.9693)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9799)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-116.9472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=61.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.4812)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=7.7446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=6.0545)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.2543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.2304)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-102.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-110.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-63.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-12.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=76.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-96.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-25.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-85.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-20.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-105.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-20.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-22.3608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2502)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2839)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9626)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-97.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-110.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-25.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9583)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-112.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-118.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.0122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=5.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-13.7588)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=11.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-22.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-93.5338)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5670)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-13.8637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-111.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=14.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=5.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5366)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-92.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-13.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-101.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=6.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=11.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8374)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=23.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-22.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=5.2744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7032)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-14.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.7655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-20.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.4066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=12.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-103.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=3.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-103.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-88.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-23.5401)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.8145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4180)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8378)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.6659)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.8538)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=82.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=5.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-113.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-23.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-111.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-12.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-114.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=8.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-9.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=82.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-14.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-123.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.2436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-119.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=82.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=63.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=8.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=62.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-25.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-99.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-21.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-112.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-104.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-97.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=12.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-23.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-7.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-77.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-16.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-8.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-79.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-101.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-24.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-104.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-104.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-105.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-13.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-22.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-100.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-91.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-116.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-16.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-118.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-111.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-14.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-9.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-115.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=61.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-22.6752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-91.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-15.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-122.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=3.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-118.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=9.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-25.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-111.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-112.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=5.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-115.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-105.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-115.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=61.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=5.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-94.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-13.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-113.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-12.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-117.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-86.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-119.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2875)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.0381)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.5922)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6411)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-116.4018)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.9946)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-25.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-115.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=58.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0989)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-25.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-6.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-113.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-76.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=70.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=4.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-100.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-104.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-114.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-10.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=2.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-15.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-87.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-109.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=5.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-15.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-108.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-9.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-118.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=6.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=10.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-109.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-5.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-26.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-109.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-114.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-4.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-112.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=7.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-18.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=79.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=5.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-19.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-91.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-3.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-11.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-17.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-92.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B97D3M', mode='dfhf_CP', basis='adz', value=-2.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-0.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B97D3M', mode='dfhf_CP', basis='adz', value=-1.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=63.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=18.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0633)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-90.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-95.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-95.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-90.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=59.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-90.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-70.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=11.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=64.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-121.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-27.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-125.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-77.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=59.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-121.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=13.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-98.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-27.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=83.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=68.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=20.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-79.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-124.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-28.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-95.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=90.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-73.3318)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.1739)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4804)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1760)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-78.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-86.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0544)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6349)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.0297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2610)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2877)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5391)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3734)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-63.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=78.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4626)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-85.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1008)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8160)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.3435)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2410)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0243)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1547)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0499)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7399)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8593)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.7259)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2557)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3725)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=14.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6922)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.5217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.9595)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=11.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4839)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.5381)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4473)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2244)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1202)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.7631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=84.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=9.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=85.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-124.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=85.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=64.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=13.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-77.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-79.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7831)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0123)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9674)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.0393)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-91.9317)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.1349)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=9.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-94.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-86.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.9948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=58.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-76.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=71.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-87.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=11.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-27.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=81.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.3594)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0885)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4847)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=63.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-80.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-16.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=19.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=2.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=2.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-89.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-20.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-110.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-22.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-8.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1132)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2215)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6777)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-16.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-101.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-16.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-102.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-18.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=7.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-110.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-100.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-113.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-110.6917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=59.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=8.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4383)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-10.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-22.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-100.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-90.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-22.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-25.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-70.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=10.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4694)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5974)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3095)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.5805)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=3.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=2.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.7620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6235)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-18.2414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-16.4594)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5053)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.1062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=63.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-117.4219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-91.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-21.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-115.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-11.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-81.3623)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9259)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6810)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-13.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-108.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-9.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0953)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-105.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5989)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-76.9659)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=59.9491)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.5376)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-25.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-23.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=10.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-122.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-91.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-23.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-11.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-105.3307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.7022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-120.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-114.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6752)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-8.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=2.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-16.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-108.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-24.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-25.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-24.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-104.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-9.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-21.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-15.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5995)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=13.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-25.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-98.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-96.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7925)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=19.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-13.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2612)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-16.7026)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0133)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-12.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-10.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-98.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-108.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-18.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-118.1440)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8932)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8584)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-21.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-16.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=8.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2255)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-18.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3580)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1380)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.7041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-9.7102)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0670)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-24.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-110.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-20.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-92.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1832)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=3.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6789)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1376)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.4407)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7486)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-19.1725)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-25.2511)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=78.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-12.0321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-91.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-78.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6225)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3628)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0796)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9216)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3944)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6691)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.4975)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-102.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-110.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.4188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-18.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-11.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-63.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-20.0242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3998)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=76.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-110.3438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3335)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.4246)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-112.6757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-10.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-111.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=14.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=3.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=5.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-92.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-11.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-13.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-100.9890)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-20.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-21.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=12.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-103.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2229)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1563)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9769)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9260)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8764)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0517)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.5133)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=82.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-11.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-21.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-8.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=5.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-113.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-23.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2956)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-111.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-12.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9768)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6898)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-114.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=8.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-9.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=83.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-8.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-13.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-123.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-21.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-119.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=82.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=63.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-18.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-8.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=8.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=62.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-25.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-99.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-19.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-21.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=2.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-19.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-111.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-24.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-104.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-97.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=12.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-24.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-7.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-8.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-76.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-16.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-8.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-79.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-101.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-24.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-103.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-103.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-105.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-13.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-22.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-100.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-91.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-116.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-16.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-118.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-111.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-13.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-9.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-115.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=62.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-22.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-91.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-15.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-122.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-118.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=9.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-25.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-111.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-112.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=5.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-115.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-105.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-115.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=62.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-10.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=5.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-94.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-13.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-113.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-12.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-117.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0697)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0439)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-86.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-119.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3073)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-116.2810)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-23.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-25.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-115.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=58.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-24.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-6.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-113.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-76.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=70.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-18.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=4.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-100.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-104.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-114.6025)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-11.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-10.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=2.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-15.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-87.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8380)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9159)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4775)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-109.1274)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5231)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1454)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-118.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=6.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=11.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-109.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-26.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-109.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-114.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-112.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=8.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-18.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-18.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=79.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=5.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-19.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=1.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-91.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-11.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-17.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-92.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6201)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B97D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=62.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-81.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-16.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=22.8516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-16.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-107.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-96.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-12.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-101.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5649)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6349)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8355)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5194)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-103.7173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-19.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=7.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-111.3028)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-15.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-25.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-112.0633)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=3.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-18.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-18.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-10.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=12.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5159)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9342)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-92.7466)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5831)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5149)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-25.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-82.3819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-27.0758)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-24.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-20.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.2318)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6370)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3584)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-11.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-106.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-88.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=9.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=1.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1390)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7847)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-106.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-121.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-116.1131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-112.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-81.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=1.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-16.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-110.0847)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3777)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-25.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-24.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9392)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3080)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4385)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7377)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=3.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=4.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-21.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-15.4615)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=12.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-25.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-99.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-96.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-97.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-23.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-116.0700)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7674)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=1.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-21.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-115.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-109.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-16.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-18.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-123.6532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7046)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=4.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-110.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-19.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-119.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-114.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-82.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=3.2045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-19.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-119.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=3.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7890)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-10.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=2.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-19.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-9.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7121)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-28.9385)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-25.0183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2863)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2677)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-18.5918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-118.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-93.7464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-103.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-111.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-19.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0935)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5364)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0684)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=1.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-21.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-22.2779)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8802)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-18.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-22.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-10.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-114.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-20.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=83.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-11.6769)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-22.0866)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=84.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-14.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-124.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-22.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-120.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=84.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1063)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=63.6077)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-9.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=7.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=62.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-25.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2018)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-20.0605)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2491)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=1.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=4.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-20.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-113.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-24.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-105.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6557)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=12.8349)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5622)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-24.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-8.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-17.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.1100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9549)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5660)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0869)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-105.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-18.2854)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.5588)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=4.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3827)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-113.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=3.4226)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-110.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=5.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-15.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-110.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-10.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-119.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=6.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=10.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7499)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-27.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0752)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6681)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BLYPD3M', mode='dfhf_CP', basis='def2qzvp', value=0.2556)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0229)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8137)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-15.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-16.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-102.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-16.5227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2269)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.7152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-110.6695)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-113.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.4099)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-14.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-25.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-111.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5593)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.8803)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3906)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-12.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.5004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2318)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-11.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=4.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-89.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=59.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=8.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.4503)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4336)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5229)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-11.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=4.2958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1546)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-22.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.7924)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8342)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-100.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-90.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-22.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-24.9485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-71.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=10.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1841)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4149)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.2783)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-17.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=2.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.5003)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5068)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5937)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=62.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-117.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-92.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-21.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-115.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-11.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5272)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0916)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8768)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.5035)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-106.7190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8239)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.5334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-92.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-23.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-11.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1524)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6162)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9102)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2828)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-88.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=2.8622)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=9.2690)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.5580)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-105.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2601)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2772)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-17.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-21.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1841)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7629)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7930)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6463)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0298)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8410)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.6394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-27.9286)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-15.9318)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-17.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-122.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.6183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5538)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7177)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-118.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-79.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-23.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-17.0406)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0749)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-22.0678)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-16.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=8.8554)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=2.0341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-17.7341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9783)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-10.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=2.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.8531)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7987)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.0995)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4598)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-92.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-108.1672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4903)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-19.3703)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.3668)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-10.6991)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=86.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-24.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-22.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-74.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.0885)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-77.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-114.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=55.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=11.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3964)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.8953)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-82.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-116.5368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-24.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7550)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6475)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-23.9164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-112.6329)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0985)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.9242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8805)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0774)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8728)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4304)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-117.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=61.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8504)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.6552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9800)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8650)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-20.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8528)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.2522)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-22.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-93.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.9541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4457)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8996)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7338)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8924)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=4.7904)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-103.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-88.1415)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-23.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-20.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=2.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-11.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.4707)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.3679)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-22.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-10.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.8384)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-11.6130)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5313)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.1528)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.3506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.3978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-113.6084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0512)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-23.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8758)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-13.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-115.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=8.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-9.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=81.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5531)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.7631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5384)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=62.4685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3768)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=8.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=62.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-25.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-100.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-19.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-22.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-19.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-112.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-24.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-104.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-97.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=12.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-24.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-7.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.6079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-77.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-16.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-8.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-80.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4078)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-101.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-24.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-104.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.0528)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-104.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8215)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9648)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6507)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9588)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-115.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=61.9210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-22.8638)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-92.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-15.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-122.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-118.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=9.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-24.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-112.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-112.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=5.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-116.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-105.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-116.1242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=61.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-10.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=4.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-94.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-14.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-113.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-12.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-118.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-86.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-119.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=4.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-113.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=3.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-116.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-23.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-17.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-25.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-116.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=58.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-25.5237)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-6.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-77.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7899)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=69.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-19.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7382)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-105.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-115.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-11.6011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.0912)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=2.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-15.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-87.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-109.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=5.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.0162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-15.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-109.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-9.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-119.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=6.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=10.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-110.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-5.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-27.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-109.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-115.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-4.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-112.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=7.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=79.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=4.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-19.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-18.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-92.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.4637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-3.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-11.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-17.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-92.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6377)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-2.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=0.7715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-0.7849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BLYPD3M', mode='dfhf_CP', basis='adz', value=-1.1213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9401)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.4523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5346)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6638)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.8661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.5534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.7723)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=59.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-91.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.5013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.7558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.5013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=63.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3970)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8614)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7628)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-82.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-27.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.1547)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4174)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2236)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4295)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2322)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5739)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5892)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5311)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0502)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-121.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=13.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6406)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=19.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4352)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1766)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1691)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2106)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1373)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1804)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1791)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-82.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-82.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.1645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-79.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.1702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7374)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-95.9095)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1021)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7010)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1617)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5939)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.9298)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0355)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=11.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1867)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.0096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0710)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1372)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2578)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.9817)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.6152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7703)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9898)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1669)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=84.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=63.8721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.8268)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8614)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.5187)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.3448)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2571)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9976)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3677)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0211)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.4185)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4568)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=61.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.2704)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.8406)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3324)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3026)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.4854)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-27.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.5571)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.7298)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1034)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=81.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2423)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0765)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4774)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0847)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7871)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7811)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5688)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-8.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-24.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-19.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.4539)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=1.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4963)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7578)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=3.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-19.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-118.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=3.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-79.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-18.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-23.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-17.2692)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9403)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-20.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.1090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.0458)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-24.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-22.8277)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-86.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=1.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.7164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=4.0615)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-96.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.6474)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-19.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4052)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.9458)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-103.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-88.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-23.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-20.0610)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=2.5114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-18.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.7470)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-18.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-111.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-13.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=1.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-115.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=8.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-9.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.7179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=81.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-8.2594)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5851)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-14.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-123.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-21.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.6959)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-119.6290)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.7476)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=81.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.8721)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=62.7330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-8.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.0995)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=8.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=62.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-25.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-99.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-19.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-22.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7578)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.6480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=1.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=4.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-19.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-112.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-24.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-104.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5129)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-97.3002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=12.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4086)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9884)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-24.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-7.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-8.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-77.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-16.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-9.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-79.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-101.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-24.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.2806)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7393)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-9.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-115.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=62.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-22.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-91.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-15.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-122.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=4.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-118.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=9.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2089)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-24.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-111.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.6633)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.1061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-105.8446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=61.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-11.0054)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-118.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3245)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3758)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2311)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.6917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-86.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-119.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-6.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=4.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-113.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5966)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-18.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0973)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4064)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.8394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=58.4849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.4424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=69.7983)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-100.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-105.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-114.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-11.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-5.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-10.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.9959)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.2841)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.9017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.3853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-109.5045)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-4.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-112.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=7.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-18.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-18.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=79.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-0.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=5.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-3.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-19.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=0.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-2.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.4788)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BLYPD3MBJ', mode='dfhf_CP', basis='adz', value=-1.0611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-103.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-107.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-96.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-101.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=6.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-104.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=7.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-101.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-114.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-107.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-96.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=5.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-90.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=59.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=8.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-101.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-91.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-26.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-70.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=10.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=12.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=63.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-93.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-117.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-82.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-122.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-28.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-126.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-100.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-108.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-13.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-107.2643)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-77.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=58.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-118.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-80.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=10.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-123.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-93.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-88.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=8.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-122.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-113.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-80.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-26.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.1652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.3659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=12.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-26.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-100.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-97.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-98.0455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6545)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5130)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-28.0801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.8914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5078)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0258)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=68.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-120.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=19.1467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.7776)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.5040)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.1338)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-81.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-13.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-100.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-81.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-120.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-80.1200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=8.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-93.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-108.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6568)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.1230)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-96.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-78.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=56.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=10.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-82.7200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.3153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.7610)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.0638)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-89.5709)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=12.9326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-94.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3494)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-118.6423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=62.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=7.9280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=5.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7769)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5097)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.7883)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-97.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-27.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1955)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9777)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0753)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=12.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-94.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9968)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.7000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-102.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=5.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=11.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=23.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0290)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.8249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=12.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2302)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-104.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-104.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-89.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-114.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=83.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=5.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-114.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-113.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-13.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1257)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=8.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=84.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-125.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-121.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=84.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=63.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=8.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=61.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-26.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-100.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-113.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-98.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=12.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-77.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4563)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3983)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-79.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-103.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-104.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-105.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.6315)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1079)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7395)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.5394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.1005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-101.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-117.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-120.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-117.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=61.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3127)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4596)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8159)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1268)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1883)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8777)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4629)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=5.8605)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-95.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1535)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5551)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=3.3675)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-77.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=71.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-101.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1478)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=2.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-88.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3737)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0032)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=5.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-120.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=6.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=10.6604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-111.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-28.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-113.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=7.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=81.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=4.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=1.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.5948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-93.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8990)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BP86D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=62.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-80.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-16.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=20.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6868)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-90.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-21.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-110.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5275)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5478)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7601)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3106)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-15.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-16.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-102.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5223)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4930)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-15.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.2639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-107.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-95.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-100.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=6.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9599)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8909)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-103.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9779)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-111.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.6051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-113.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4054)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1380)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-25.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-111.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-107.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-96.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=5.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-90.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=59.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=8.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1333)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-23.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-101.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-91.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-23.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-25.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.9040)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0549)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-9.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-10.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=11.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.9228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=62.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-118.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-92.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-116.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-25.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-81.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-122.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-27.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-125.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-16.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-100.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-107.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-13.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-108.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8353)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4510)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7531)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.6420)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-106.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4475)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-77.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-24.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=59.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-117.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-25.4058)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-80.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=9.9221)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-122.9981)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5858)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-92.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-23.4250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-11.9860)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1765)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8650)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4733)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-106.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-88.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=8.7642)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-106.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-121.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-115.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-112.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-16.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-109.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-24.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-26.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-24.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-105.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-10.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-21.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-15.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=12.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-26.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-99.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8274)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-96.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-97.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3221)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.5819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.0677)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1677)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=5.4625)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3811)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-101.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8189)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=67.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-115.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-120.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-16.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.4125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.9177)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=18.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5035)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3686)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0154)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-115.5905)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.8107)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8252)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-123.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-117.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-15.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-81.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-109.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-13.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-11.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-99.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2982)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.1424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-81.5989)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7232)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-119.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-79.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-24.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-21.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-16.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=8.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-10.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-10.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-92.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-108.2596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.1071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-124.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-13.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-24.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-120.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-77.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-114.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=55.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=10.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-82.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-115.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-9.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2335)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.9182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-116.5580)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-25.6786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6281)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0880)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3329)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8950)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2772)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.9143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-118.7349)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-112.9030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-23.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-28.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-116.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=76.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.9102)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1136)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-92.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-78.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-87.1496)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8181)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8863)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6025)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4269)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-119.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-93.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3590)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7697)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-118.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=61.8814)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3047)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=7.7622)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9111)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=5.7705)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.0500)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-94.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.5270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-102.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-111.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-63.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.9435)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.6027)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0493)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-96.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-26.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8963)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-86.0126)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-106.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-98.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-111.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-26.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4538)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-113.1355)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-120.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2805)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.5651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=12.4690)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4125)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2425)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4007)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-23.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-94.1347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.6927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-87.7293)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-11.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3925)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-112.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-10.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-112.5855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.6771)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=6.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5403)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4822)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-11.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-122.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-21.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=11.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-104.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3760)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-104.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-88.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.6465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-24.2792)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-11.9151)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-10.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-113.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=81.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-9.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=5.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-113.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.2405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-23.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.5251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-112.7193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-115.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=8.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-9.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=82.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-124.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-121.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=81.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=62.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-8.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=8.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=61.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-25.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-99.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-113.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-24.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-105.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-97.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=12.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-24.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-9.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-76.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-16.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-9.2826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-79.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-102.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-25.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-104.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-105.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-106.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-7.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-22.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-101.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-92.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-116.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-119.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-111.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-9.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-116.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=61.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-23.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-92.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-15.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-123.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-119.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=9.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-25.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-111.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.6393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-113.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=5.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-116.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-106.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-116.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=61.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-11.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-94.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-14.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-114.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-119.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-87.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-120.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.2552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-113.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=3.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-117.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-24.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-17.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-26.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-116.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=58.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-25.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-6.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-114.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-77.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=70.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-101.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-105.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-115.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-12.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-10.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=2.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-16.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-87.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-109.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-16.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-109.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-9.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-120.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=6.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=10.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-110.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-5.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-28.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-110.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-115.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-4.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-112.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=7.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-19.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=79.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=4.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-20.0854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-92.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-3.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-11.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-18.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-93.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-2.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-0.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BP86D3M', mode='dfhf_CP', basis='adz', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-63.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=18.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-90.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.2367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-90.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=59.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-91.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-70.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=64.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-82.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-28.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-126.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-77.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=58.8772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.7724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-98.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-28.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=82.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=68.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=19.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-79.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-125.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-28.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-95.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.2970)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5706)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2870)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.6986)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-73.1972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0794)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-77.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=56.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.2986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4147)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4256)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8684)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1150)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4389)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4970)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9171)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2447)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4105)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5300)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-28.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=78.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-78.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3487)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-87.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1911)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-95.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-63.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=77.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-86.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-98.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.9251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=11.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-94.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=14.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-94.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=11.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=22.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.2013)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.7012)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2929)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2977)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=83.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=85.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-124.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-121.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=84.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=64.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=61.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-98.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-77.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-79.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=61.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=9.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=61.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-95.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-87.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=58.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-77.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=71.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-28.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.0739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=81.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=62.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-80.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-16.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=19.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=3.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=2.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-90.5163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-110.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-22.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=3.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5374)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=6.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.6963)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3641)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-111.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1900)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-12.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-20.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-96.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-13.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-90.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=59.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=8.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-12.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-91.0564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-25.8693)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0707)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5709)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6940)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1419)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0382)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.7909)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-17.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-9.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-10.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=3.3678)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-17.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=11.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2868)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3935)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7097)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-100.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-107.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-13.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-108.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8894)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.2815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3078)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6112)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7155)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=58.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-117.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-14.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-25.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-23.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-80.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=10.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9396)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8660)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2834)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-106.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-121.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-115.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-112.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-16.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-109.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-24.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-26.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-25.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-105.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-10.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-17.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-21.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-15.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=12.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-26.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-99.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-119.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-16.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0677)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-81.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-108.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-99.4476)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-21.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-17.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-16.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=8.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=2.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-19.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2619)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4453)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-124.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2596)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-82.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-115.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-9.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5522)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1399)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-25.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2386)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8442)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-23.2736)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4933)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4423)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0589)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.4571)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5533)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-94.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9747)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-19.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-20.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-23.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-111.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-26.6400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-112.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9040)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.8658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-10.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-112.4147)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=2.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=5.9518)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.0119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9243)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-22.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-14.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=2.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-21.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-22.4823)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-104.1846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-88.6046)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4653)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.5604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-22.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-10.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-113.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-20.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=81.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-12.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-22.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=3.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9668)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-9.3549)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=5.2913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-23.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=8.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-9.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=82.6393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-13.9824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-123.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-22.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-121.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=81.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=63.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-19.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-17.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-8.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=7.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=61.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-25.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-99.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-19.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-22.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-20.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-112.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-24.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-105.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3499)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8894)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-24.7104)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8858)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-76.9472)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-9.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-79.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-102.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-25.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-104.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-105.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-105.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-14.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-22.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-7.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-101.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-92.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-116.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-17.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-119.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-111.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-14.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-9.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-116.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=61.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-23.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-92.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-15.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-122.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=3.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-119.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=9.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5990)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-25.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-111.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-113.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=5.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-115.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-106.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-116.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=61.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-11.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-94.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-13.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-114.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-12.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-118.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-86.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-120.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-113.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=3.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-117.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-24.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-18.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-26.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-116.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=58.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-25.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-6.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-114.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-76.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=70.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-19.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=4.4101)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9940)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-115.6640)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2282)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9475)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8824)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-87.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2860)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-109.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=5.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-16.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-109.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-9.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-120.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=6.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=10.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-110.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-5.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3244)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-115.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-112.5071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-19.1504)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=79.5703)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-17.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=0.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-92.0133)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6657)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1079)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3MBJ', mode='dfhf_CP', basis='adz', value=-11.7101)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3230)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5566)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-23.5508)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-9.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8810)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-14.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-124.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBED3M', mode='dfhf_CP', basis='def2qzvp', value=-22.5656)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0973)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.9851)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-90.8821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6326)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-126.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6344)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.6795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8044)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=59.8042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.7199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.4368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.0583)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2198)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.1172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=67.9308)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0990)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3147)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6906)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2535)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3692)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8515)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2360)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8510)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2399)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-87.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2952)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5313)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7364)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7600)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7491)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6503)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2736)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.7742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-121.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=83.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=63.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2375)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8201)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4954)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3926)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.9056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5835)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2641)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1085)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2627)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=58.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1970)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0457)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6079)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8124)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1118)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.0799)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=2.4351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=1.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9751)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8293)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2805)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.0879)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-21.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.3610)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0488)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.7100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=1.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=4.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-20.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-112.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.2702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=0.6113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-104.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-106.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.0765)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4382)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.7437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0454)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.9467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8136)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='PBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-61.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=63.2188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-80.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7982)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-107.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-96.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-101.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=6.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-103.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=7.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-100.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-114.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7026)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-26.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.4291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-107.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2737)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=59.6684)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6686)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8695)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=3.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=3.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=2.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-77.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=3.9661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=12.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=63.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-117.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=2.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-81.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-122.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-28.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3563)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-100.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7833)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-107.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-13.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.4151)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1196)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.5147)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-77.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.3674)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=59.8852)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0256)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6495)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5605)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1055)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0550)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4032)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-88.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=2.9337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0077)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-106.5726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.4736)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-105.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=4.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=4.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=13.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-99.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-97.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-98.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5706)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0442)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0880)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7007)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4240)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-108.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.3647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-123.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-118.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=4.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9392)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-82.0036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1905)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.0242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9788)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-13.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-99.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3328)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=5.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-16.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=8.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1646)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4805)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=2.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.5076)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5951)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9133)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=2.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.2926)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-28.7870)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-117.3721)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4235)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2973)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4996)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=5.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.2820)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5518)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7601)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.3141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-87.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=3.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=6.1240)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5095)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.3914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5898)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1366)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=22.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-21.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=2.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5044)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.5417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-114.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=83.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4275)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=4.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=5.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-114.7186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-24.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.8084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-113.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-13.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=8.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-10.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0592)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5229)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-124.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-22.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-121.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=85.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=63.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9695)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-18.2923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=8.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=62.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-26.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-99.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=4.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-20.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-113.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-105.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-97.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=13.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-7.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-8.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-77.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1288)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-79.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2500)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-120.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-112.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-14.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-117.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=62.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-23.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-92.6243)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-123.6618)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4696)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-119.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-86.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-120.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2703)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9457)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=4.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3709)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=3.5344)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-25.0103)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4643)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1779)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=1.8768)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-76.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=71.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=4.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-101.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-105.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-116.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-12.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-11.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=2.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-15.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-88.0312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1875)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=5.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=0.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-17.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-109.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-9.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-120.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=6.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=10.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-5.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-28.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-110.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-115.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0018)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3308)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7624)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=7.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=-19.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=82.1726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='def2qzvp', value=5.0498)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-90.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-21.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-110.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=4.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2425)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6350)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7601)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5412)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-102.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5396)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7704)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-12.8527)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5784)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-107.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-96.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-12.7656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-101.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=6.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-103.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=7.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-111.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-100.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-113.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-111.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-106.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-13.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-96.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=5.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-90.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=59.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=9.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=4.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.7213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-101.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-90.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-26.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-68.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=10.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-10.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-77.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=12.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3588)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=63.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-118.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-92.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-22.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-116.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-81.3347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-121.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-27.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-125.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-16.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-100.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-107.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-13.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-108.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-9.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-106.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-77.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-15.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=59.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-118.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-24.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-79.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=10.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-122.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-92.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-106.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-88.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=8.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-106.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-121.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-116.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-111.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-80.3181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-16.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-109.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-26.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-105.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-10.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.7870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=4.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-22.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-15.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=13.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-99.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-96.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-97.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-115.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-21.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-28.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=82.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=5.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.3293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-9.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-101.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-15.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=67.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-115.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-119.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-16.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.9464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=20.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1841)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2746)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3395)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-123.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-117.5748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=4.2021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-15.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-81.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-108.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-13.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-10.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-99.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-110.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.0657)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-119.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-114.2613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-81.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-120.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.8169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-79.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-24.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-16.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-21.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.0389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=5.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-22.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-16.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=8.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-10.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-10.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-92.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-108.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-124.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7102)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3199)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.6011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-114.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=55.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=10.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-82.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-115.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-9.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-116.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-26.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1285)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6733)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2078)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-92.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.4185)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7657)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7814)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.9833)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1703)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8232)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-24.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-10.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8024)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-26.2120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6751)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5288)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-94.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-118.7285)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.3472)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.2506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-118.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-86.8732)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-112.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=6.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-109.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-89.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-10.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-109.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-28.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-116.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=78.2265)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1987)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.3115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8691)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0640)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-9.9449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4407)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=12.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-9.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6897)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-118.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=61.6926)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=7.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-15.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-92.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=5.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-94.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-102.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-111.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-12.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-61.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-21.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-12.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=76.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-96.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-26.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-85.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-105.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0619)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-97.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-111.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-27.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8850)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.7279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.5647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.1964)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-87.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-112.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-112.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=14.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=6.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-93.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-12.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-101.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=6.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=11.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=22.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-22.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-122.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=5.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-22.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=12.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-103.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-104.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-88.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-24.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-22.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-10.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-113.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=82.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-22.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=4.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.1323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=5.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-114.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-24.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-112.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-13.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-115.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=8.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-10.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=84.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-124.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-22.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-121.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=84.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=62.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=8.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=62.2672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-26.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-99.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-22.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=4.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-112.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-105.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-97.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=12.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-7.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-8.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-76.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-9.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-79.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-102.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-26.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-103.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.9756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-104.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-105.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-101.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-92.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-116.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-119.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-111.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-9.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-116.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=62.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-23.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-92.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-15.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-123.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-119.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=9.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-26.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-111.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-113.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=5.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-115.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-66.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-106.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-116.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=61.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=5.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-95.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-14.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-114.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-12.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-118.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-86.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-120.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=4.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-113.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=3.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-117.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-24.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=1.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-26.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-116.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=58.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-25.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-6.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-114.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-76.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=70.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=4.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-101.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-105.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-115.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-12.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=2.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-15.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-87.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-109.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=5.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-17.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-109.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-9.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-120.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=6.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=10.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-109.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-5.7168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-28.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-110.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-115.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-4.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-112.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=7.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-19.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=81.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=4.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-20.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=0.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-92.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-3.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-11.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-18.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-92.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-2.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.8051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-0.7727)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='PBE0D3M', mode='dfhf_CP', basis='adz', value=-1.0833)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9379)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5315)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8969)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1617)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4127)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7089)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5897)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0110)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.5210)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-90.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-91.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-68.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.8957)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=63.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-28.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-126.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7245)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4803)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3426)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8235)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5390)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.6723)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5140)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1751)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.5393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-27.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8260)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=13.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4932)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8869)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.0988)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0439)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6912)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2792)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=68.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9375)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.9101)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=20.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-82.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9850)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5157)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8009)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0879)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9127)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4102)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.4821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0880)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6043)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1686)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.6291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-72.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.9342)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1132)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-87.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=13.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.9757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4343)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.2418)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.1702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0745)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1725)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5324)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.8160)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-61.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=77.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7734)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.1594)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1134)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2072)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.3635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5073)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6491)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4831)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5949)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2760)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.3251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3252)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4447)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=22.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.4864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6625)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8766)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9181)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4596)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.1954)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4525)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9283)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.6242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9576)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=83.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.7387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3711)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.6022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.0097)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=85.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-124.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-121.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=85.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=63.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=13.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-77.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-79.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.8603)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.6800)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=9.7670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0006)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6642)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.9460)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5995)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3879)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-95.5061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-86.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3442)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.6485)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0850)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8416)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4027)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-76.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6699)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=71.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7908)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1155)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0615)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-88.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-28.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=82.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5283)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9266)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-5.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=0.5738)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-108.6785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-118.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=0.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-5.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-14.2698)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9725)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-111.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-80.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-4.1639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-20.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0442)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0922)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7358)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6779)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-19.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-4.9693)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7794)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-18.3487)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=82.0636)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-6.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-5.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=8.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-10.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=84.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0625)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-8.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-14.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1067)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7067)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-4.5612)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=62.2045)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.0477)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7358)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6879)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-99.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-20.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-22.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-7.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=1.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-4.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=4.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-20.6961)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-79.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-3.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-4.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-103.0114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-26.2297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-119.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=9.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-26.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-111.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-5.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=0.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=2.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-15.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-87.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-2.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.1331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-109.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=5.0055)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-0.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-5.0605)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-1.1270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0D3MBJ', mode='dfhf_CP', basis='adz', value=-92.0325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-15.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-16.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-102.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-16.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6563)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0299)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.5115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9015)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6220)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-102.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-19.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=8.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-111.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-100.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-113.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-14.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-25.8650)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-11.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=5.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-23.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-100.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-90.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-23.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-25.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-67.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=11.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8602)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-18.2420)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=4.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=2.5652)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0473)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1662)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3669)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=2.8059)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-25.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-122.4054)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-13.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-108.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-9.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5028)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1670)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7933)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6521)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-117.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-14.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-25.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-24.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-79.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=11.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2900)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=1.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-122.9280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5709)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-106.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-121.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-115.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-111.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-80.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=1.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-16.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-109.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-25.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-26.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-25.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9418)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-105.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0157)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5047)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8333)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=4.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4343)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3333)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8492)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-96.7048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-16.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-18.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-20.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-17.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=22.1558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-15.3004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3615)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7669)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3447)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2722)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-82.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-109.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2999)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-13.1975)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=3.2862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-21.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=5.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-22.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-17.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-16.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=9.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=2.4236)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3638)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-10.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=2.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-19.1330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-92.5053)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7026)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4954)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-19.4601)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.1019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-19.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-124.5596)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=10.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0943)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.0564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.0119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.8947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-9.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-22.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=13.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-9.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=1.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3713)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7418)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7388)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.9233)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-117.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=62.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=1.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2929)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-23.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=5.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-93.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-7.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-25.6108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=7.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=12.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-17.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.8351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7675)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-104.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-87.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-23.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-20.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=2.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-12.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3547)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-18.9206)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-24.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-18.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-112.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=1.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1714)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-115.3199)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=9.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=62.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-26.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-99.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-20.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-22.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.1324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-8.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=1.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=4.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-20.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-112.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-25.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-104.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.1221)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4009)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-97.1213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=14.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4640)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-25.1557)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-79.5532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-17.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-119.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-111.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-14.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-9.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=0.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-116.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=62.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-23.5712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6160)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-118.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.1767)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-6.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-114.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-76.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=71.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-19.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=5.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-4.7154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-3.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-101.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-105.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-115.2777)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-11.6782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.1321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.8351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-5.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-27.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-110.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-115.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-2.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='WPBED3M', mode='dfhf_CP', basis='def2qzvp', value=-1.0148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-80.5532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=1.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-16.7655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=2.7396)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-90.0986)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-21.3674)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.3684)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4652)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3644)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=6.7424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-13.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.3667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.4928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=5.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-89.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=59.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=9.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.3876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3794)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5130)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3283)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-18.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-16.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-10.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5133)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=4.6181)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3034)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4111)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3458)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9419)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4239)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=59.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1125)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=11.2377)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6574)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-105.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-120.8857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-115.2596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-110.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-80.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=1.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-16.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-108.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-25.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-26.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-25.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-104.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-10.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=4.3632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.4601)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=4.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-17.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-21.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-15.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=14.7238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-99.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.8953)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0872)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7457)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0703)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.7062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.4105)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-17.6793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.8108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-18.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-20.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-17.8094)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=21.9686)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0373)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.8808)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9488)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2886)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.8571)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8246)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.0658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1336)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-22.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7110)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-16.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=9.4205)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2136)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=2.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0370)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-17.7623)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=4.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.2400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=2.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1235)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7292)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.1635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-115.9331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6690)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.5455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6384)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-118.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-93.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.8254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5528)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.7486)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=6.2401)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3767)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8360)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-10.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-111.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=15.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4508)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=7.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.1883)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0707)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-21.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-22.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.7539)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=13.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.3708)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4390)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8384)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.1614)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9866)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2814)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=3.2441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7028)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-104.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-87.4062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.2648)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-23.7339)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7364)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-11.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.2188)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=83.0238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-21.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.4508)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=1.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=5.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=1.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=6.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-113.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-24.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6318)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-112.7849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8764)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7271)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=9.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-10.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3767)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=86.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3545)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3282)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-14.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-124.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-21.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-120.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=85.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=62.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-19.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-17.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3851)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=9.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=62.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-26.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3847)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5604)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8989)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2976)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-99.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-19.8359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7941)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.9983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=2.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=4.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-20.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-112.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-24.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-104.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-96.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=13.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-24.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-9.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-76.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-17.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-8.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-79.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-102.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-25.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-103.1221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-18.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=1.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-103.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-105.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-14.2968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-22.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-7.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-100.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-92.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.5713)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-116.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-17.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-118.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-13.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.4184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-9.8452)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-115.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=62.2896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.1640)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-92.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-15.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-111.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5275)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6755)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8570)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.5395)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-115.6647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-66.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-105.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-115.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=61.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-11.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=5.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.3268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-94.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-14.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-113.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-13.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-118.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-86.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-119.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4676)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5360)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9992)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=5.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-112.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=4.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-116.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-24.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-18.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-17.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=2.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-25.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-116.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=58.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-25.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-6.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-114.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-76.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=71.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-19.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-104.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-114.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-11.6653)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5263)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-119.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9180)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=11.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-108.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-3.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-5.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-27.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-109.7756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-114.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0510)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.6608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=0.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-4.1334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-18.6124)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=5.6491)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.0881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.5312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5091)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-12.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-18.0329)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-2.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=1.0548)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-0.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='WPBED3M', mode='dfhf_CP', basis='adz', value=-1.1201)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=18.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-90.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8421)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2010)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7076)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-95.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-89.5081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=59.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=9.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3492)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-90.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-67.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=11.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.9262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-77.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=13.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=64.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-91.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-27.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-125.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-107.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-106.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.9517)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=59.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-79.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=11.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-91.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-87.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=9.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-121.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-80.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.8591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=15.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-27.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=84.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8625)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.7982)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.4310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=22.3128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1605)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8038)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8949)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-108.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-98.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-81.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=3.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-79.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0454)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0868)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0286)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.2041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6618)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1082)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8662)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9147)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-28.8638)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9293)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.9917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0162)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5067)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7580)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-117.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.7520)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2194)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=8.7085)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-93.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2588)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9778)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3753)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=78.0436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4678)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-96.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.5439)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4799)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0271)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-13.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.9621)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5770)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-122.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.3099)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.0941)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-113.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=84.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=9.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=87.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-124.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-21.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-120.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=86.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=63.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=9.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-99.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-20.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-97.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=14.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-76.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-17.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-79.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-102.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4089)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-103.3820)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-100.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.3043)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1550)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.9597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2546)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=62.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-23.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-92.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-123.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=4.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-118.7935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=10.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-25.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-111.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5377)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-66.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-105.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-116.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=61.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.1017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-114.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9302)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1873)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3509)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-86.1978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8860)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5827)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-101.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-104.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-11.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=2.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-87.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=6.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-119.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=7.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=12.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-109.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-27.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-110.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-115.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-112.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=9.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=83.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=5.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-91.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5894)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8992)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=62.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-80.3787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5601)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=19.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=1.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=3.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=2.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-90.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-21.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-110.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-23.1523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.0094)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.9396)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-19.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-95.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-12.8460)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=59.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=9.3717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-99.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-106.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=59.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-17.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-117.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-14.1523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.6649)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3196)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-25.8107)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-79.3182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=11.3394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6318)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2043)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-105.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-120.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-115.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-110.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-79.8938)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.2122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=1.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1086)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-16.5108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.7048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-26.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.6684)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.1036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-108.5193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6232)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.3093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.0476)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=5.1919)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-17.3179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=2.5337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-81.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-114.6483)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.2746)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.5772)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-23.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.3061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.9715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-22.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=6.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-15.0181)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.2774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6669)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-17.8185)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-113.3339)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6196)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.6233)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4827)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=86.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-14.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-124.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-21.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-120.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=85.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=63.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-19.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-17.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.2375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=9.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=61.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-26.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1150)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-98.9297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-22.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=2.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=4.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-20.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-112.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-24.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-104.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5780)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-8.7913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.3050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0198)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-79.2438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.8666)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-102.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-25.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8116)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-103.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-18.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=1.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-103.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-105.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2416)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-6.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-14.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-22.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-7.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-100.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.9680)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=62.3115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.6200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-112.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=5.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-115.4830)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-105.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-115.6529)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=61.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-12.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=5.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.7174)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=4.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-116.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-24.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-18.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-17.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-5.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=2.3697)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-116.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=58.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-25.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7873)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-4.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=0.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-16.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-108.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-9.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-119.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=7.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.9209)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7388)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8476)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5605)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-108.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.5503)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.6938)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-3.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-11.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-18.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-91.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-2.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=1.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='WPBED3MBJ', mode='dfhf_CP', basis='adz', value=-1.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-61.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=21.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.6244)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-107.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-107.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-89.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=59.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-68.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-125.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-107.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=59.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-88.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-121.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=68.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=20.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-82.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-124.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-120.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=91.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.7759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-72.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=55.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-82.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6072)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5443)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-89.1218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=78.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-78.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-61.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=77.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-85.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-98.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=14.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=23.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-88.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=85.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-124.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-120.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=85.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-123.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-67.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=61.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-120.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.1323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=58.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-76.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=71.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.5842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=82.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-61.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=63.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-80.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-16.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=23.2887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-90.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-21.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-110.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-16.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-102.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-16.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-106.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-95.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-100.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=6.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-102.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=7.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-110.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-100.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-113.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-14.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-111.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-14.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-106.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.9472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-20.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-95.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-11.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-89.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=59.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=9.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-11.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-100.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-90.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-68.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=10.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-16.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-77.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=12.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=62.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-117.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-91.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-115.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-11.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-81.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-121.3032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-26.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-124.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-99.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-106.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-13.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-107.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-106.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.7984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-77.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-20.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-14.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=59.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-117.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-14.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-79.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=10.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-122.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-91.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-11.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-105.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-87.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=9.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.4576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-105.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-120.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-115.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-110.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-80.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-16.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-109.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-26.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-104.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-9.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-21.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=13.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-98.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-96.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-97.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-114.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-21.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-27.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=82.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-100.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=67.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-115.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-119.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-16.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-20.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=20.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-14.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-21.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-114.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-107.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-122.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-116.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-81.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-108.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-13.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-98.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-109.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-118.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-113.8011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-81.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-118.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.8960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-79.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-21.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-16.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=8.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-92.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-107.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-123.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-119.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-28.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-94.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-14.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-16.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=89.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.6564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-72.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-95.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-76.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-114.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=55.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=11.1652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-81.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-114.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-9.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-115.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-110.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-20.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-92.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-112.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.8372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-9.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-93.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-117.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-13.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-117.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-86.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-112.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=6.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-109.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-88.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-108.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-27.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-116.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=77.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-91.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-78.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-86.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-9.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=12.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-9.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-118.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-93.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-117.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=61.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=7.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-92.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-93.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-102.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-110.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-61.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-20.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=76.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-96.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-20.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-85.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-104.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-20.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-97.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-110.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-26.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-112.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-118.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-13.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=14.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-93.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-87.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-13.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-11.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-111.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-111.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=14.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=6.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-92.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-13.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-101.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=6.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=11.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=24.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-21.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-122.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-21.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=12.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-103.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-103.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-87.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-20.0744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-11.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-112.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-20.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=82.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-11.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-21.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.2368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-113.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-112.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-114.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=8.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=84.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-14.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-123.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-119.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=84.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=62.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=8.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=62.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-99.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-112.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.1242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-104.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-97.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=13.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-7.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-76.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-8.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-79.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-102.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-103.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-104.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-105.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-14.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-22.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-100.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-92.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-116.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-16.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-118.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-111.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-13.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-9.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-115.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=62.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-23.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.2613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-92.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-122.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-118.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=9.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-111.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-112.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.9691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-115.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-67.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-105.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-115.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=61.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-94.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-14.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-113.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-12.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-117.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-86.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-119.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-112.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=3.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-116.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-24.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-116.0854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=58.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-25.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-6.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-114.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-76.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=70.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=4.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-100.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-104.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-114.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-11.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-10.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=2.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-87.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-108.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-15.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-108.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-9.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-118.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=6.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=10.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-108.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-5.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-27.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-109.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-114.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-4.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-111.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=7.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-18.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=81.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=5.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-19.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=1.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.1273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-91.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-3.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-11.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-17.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-92.0162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-2.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-1.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_CP', basis='adz', value=-0.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-61.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=20.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.8839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-107.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.5562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-89.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=59.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-68.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-121.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.3298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-125.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-107.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=59.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-88.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-121.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=68.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=20.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.8622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-82.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-124.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=91.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-72.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=55.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-82.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-89.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3335)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.6456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=79.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-78.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-61.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=77.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-85.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=15.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=23.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-88.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.4281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.1745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=85.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-124.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-120.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=85.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.4846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-67.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=61.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-120.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=58.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-76.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=71.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=82.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-61.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=63.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-80.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.5455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=22.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-90.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-102.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-106.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-95.5013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=6.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-102.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=7.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.8591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.9934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-106.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-95.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-89.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=59.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=9.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-90.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-68.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=10.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-77.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=12.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=63.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-80.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-121.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-26.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-124.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-99.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-106.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-107.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-76.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=59.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.1839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-79.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=10.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-121.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-87.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=9.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-120.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.1459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-80.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-26.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-104.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=13.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-98.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-96.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-97.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.9101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-27.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=82.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.6604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=67.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-119.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=20.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-107.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-122.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-81.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-98.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-109.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-81.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-79.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=8.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-107.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-123.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-119.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-28.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-94.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=89.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-72.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-95.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-76.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=55.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=11.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-81.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-93.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-86.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=6.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-109.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-88.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-27.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=78.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-78.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-86.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.6953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=12.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-93.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=61.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=7.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-93.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-102.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-61.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=76.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-96.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-85.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-104.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-97.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-26.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=6.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=13.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-93.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-87.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=14.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=6.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-101.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=6.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=11.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=24.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-121.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=12.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-103.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-103.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-87.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=82.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=8.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=84.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-123.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-119.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=84.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=62.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=8.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=62.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-99.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-104.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-97.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=13.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-76.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-79.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-102.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.5567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-103.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-103.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.3554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=62.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-122.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=9.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-66.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=61.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.2976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-94.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-86.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-119.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=3.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=58.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-76.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=70.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=4.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-104.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=2.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-87.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=6.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=10.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-27.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-109.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=7.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=81.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=5.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1545)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=0.9684)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-62.1490)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3033)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.5559)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=21.7496)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-91.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8344)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=4.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0633)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7949)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1460)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=4.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-90.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=59.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=8.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5550)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7687)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-78.1169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.5441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5236)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2559)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1539)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7140)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4021)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.3093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6948)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.8739)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-104.0428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.3968)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=8.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=85.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4872)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5098)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1300)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-125.7432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=62.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.7672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.1544)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.1526)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B3LYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.6509)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B3LYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B3LYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B3LYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B3LYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B3LYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4822)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7982)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.8540)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.7755)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4609)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8925)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.3170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.6371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.6769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0035)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2089)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4835)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0533)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7708)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.7955)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.0936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9688)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.6220)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7370)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.1977)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.2720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4118)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1069)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6780)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3471)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.4886)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.0420)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6098)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.9493)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0772)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.2875)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5663)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2766)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7286)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9808)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2737)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6865)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2483)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8570)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.1854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.4377)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8771)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1299)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6199)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6901)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.9033)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7202)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.1706)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9126)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9012)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.5220)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.0412)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.9469)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1730)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3935)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9859)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=14.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7495)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6391)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1271)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.1164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5767)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.0734)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=82.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.9822)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7960)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.7056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0350)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=84.6924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7317)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0313)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1513)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0068)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8058)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7767)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0118)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.8832)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5642)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8208)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.0210)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.8613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9462)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9887)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-67.6577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.7682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=58.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3015)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.9696)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=81.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.7616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5945)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-21.1273)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=2.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-12.4017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=0.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-115.8185)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-100.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-20.7793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5566)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B3LYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.2639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-95.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=6.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-103.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=7.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-96.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-90.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=59.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.4576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-91.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-70.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=10.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=11.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=63.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-122.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-126.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=59.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.8058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=9.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9385)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.6249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-81.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.1652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-99.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-96.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=82.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=67.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=19.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.7536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-108.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.2599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-99.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-125.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1110)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-28.2984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4499)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=90.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-73.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.2043)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=6.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2076)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2497)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-79.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-87.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=62.1577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=7.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6299)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-63.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=77.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-86.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-98.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=11.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5211)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.4505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.9639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6069)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3884)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7229)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0835)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=14.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7295)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5088)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=6.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=11.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=23.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.6141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2130)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.9000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9243)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-104.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4735)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-104.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.9806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.1146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=82.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=84.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-124.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=84.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=63.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=62.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-104.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9064)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3076)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3132)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=61.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1268)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.6103)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0566)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=9.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8603)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.8919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=61.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.8988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-87.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=58.3697)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=70.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9644)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0477)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5421)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=6.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=10.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=7.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=80.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B97D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=62.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-80.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=19.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-90.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-21.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-110.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1302)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2126)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.1645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-15.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-102.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.9905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-15.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9811)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-107.2553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-100.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0052)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9507)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1595)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5134)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-103.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=7.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-110.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-100.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-113.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1883)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-13.1039)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=59.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=8.1274)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=4.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-100.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-91.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-25.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-71.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=9.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.3469)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.1104)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-10.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3040)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9628)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.2812)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=11.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=62.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-118.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-92.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-21.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-116.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-11.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2158)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9630)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-106.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-20.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-77.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-24.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-20.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-14.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=58.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-117.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-14.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-25.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=9.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-122.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-92.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-106.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-88.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=8.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-106.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-121.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-115.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-112.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-109.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-24.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-26.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-24.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-105.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-10.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=4.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-22.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-15.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=12.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-25.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-99.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-96.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-97.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-24.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-115.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-22.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-27.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=80.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=5.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.7845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.5667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-14.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7995)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2237)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-21.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-115.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-108.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-123.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-117.1031)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=4.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8890)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.2146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-81.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0287)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-109.1971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8240)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3271)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-11.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-99.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-109.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-118.9141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-114.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-81.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-119.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-80.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.8647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7127)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1610)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0376)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-21.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5101)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6050)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9680)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=4.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-22.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.6393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=8.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-10.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-10.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4136)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3803)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.4524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-28.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-94.9843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0804)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-110.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-20.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-93.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-24.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.2552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-11.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-112.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6676)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7745)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.6666)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-93.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-118.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-13.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-118.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-88.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-11.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-112.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=5.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-110.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5130)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7724)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-89.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9945)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6806)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=77.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-92.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-78.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-15.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-87.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-10.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-22.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=12.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-10.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6809)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.1791)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-118.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-93.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-11.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-25.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3507)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.0462)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-111.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6529)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.9249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-64.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-20.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=76.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-96.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-26.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-20.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3444)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.6153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-21.1310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0415)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-111.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-26.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.2712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-113.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-119.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-22.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=5.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-14.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=11.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.0567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8382)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.1054)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.4481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-112.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=13.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=5.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-93.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-14.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-101.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=5.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=11.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2692)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2177)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5944)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.8856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=11.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-103.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-104.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-88.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-24.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-20.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.7224)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3510)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2057)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.1164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.2103)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.9714)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-113.3875)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-22.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.2599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=5.0131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-113.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-112.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-13.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-115.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=8.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=82.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-14.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-124.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-22.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-120.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=81.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=62.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=7.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=61.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-25.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-99.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-21.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=1.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=4.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-20.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-112.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-24.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-105.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-97.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=12.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-24.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-8.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-77.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-79.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-102.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-25.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-104.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-105.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-106.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-14.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-22.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-100.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-92.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-116.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-119.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-111.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-14.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-10.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-116.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=61.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-92.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-15.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-122.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-118.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=9.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-25.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-111.8673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-113.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=5.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-116.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-105.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-116.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=61.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-11.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=4.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-94.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-14.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-114.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-13.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-118.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-87.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-119.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-7.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=4.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-113.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=3.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-117.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-23.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-17.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-26.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-116.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=57.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-25.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-114.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-77.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=69.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=4.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-101.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-105.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-115.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-12.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-11.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=2.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-87.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-109.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=5.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-5.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-16.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-109.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-9.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-119.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=6.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=10.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-110.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-6.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-27.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-109.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-115.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-4.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-112.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=7.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-18.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=79.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=4.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-19.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.2214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-92.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2342)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.9409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7518)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.2704)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7495)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-3.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=0.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-2.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B97D3M', mode='dfhf_unCP', basis='adz', value=-1.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=18.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-90.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4900)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9666)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1832)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6404)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1260)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-95.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-90.4776)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7663)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.1902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.2087)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-70.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2547)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-126.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=59.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.0456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-99.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=82.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=67.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=19.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-108.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-99.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-108.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-125.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8915)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5434)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.0649)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0416)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5792)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1694)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=78.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-78.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.1825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6333)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0088)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0003)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3557)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.0566)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-63.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=77.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-86.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9463)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2710)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1679)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.7759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=14.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=22.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6998)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3777)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=83.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.7812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=85.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-124.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=84.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-79.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.6057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-95.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=58.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=70.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.9723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=80.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3996)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-14.5471)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3728)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-20.1312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7255)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=1.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8964)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8527)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-16.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.4047)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-117.0592)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=2.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2517)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7290)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.7001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-16.1368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=1.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=3.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5252)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4472)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-120.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=81.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=62.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-19.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-17.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.0075)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=7.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=61.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-25.7738)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.3970)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4652)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8210)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4266)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-100.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-92.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.0715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.9790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-11.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=4.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-94.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-13.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-113.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-13.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5814)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-25.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.6793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-114.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-76.8480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-110.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=22.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-91.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9884)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.6942)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-108.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-96.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=5.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-104.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=7.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9905)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.8106)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5570)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6284)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=11.5673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=62.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-122.9612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-126.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-108.3537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0401)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.9471)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4379)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-78.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0339)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=59.2075)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=9.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-124.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-89.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=8.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-122.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=12.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-98.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-28.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=81.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=5.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=67.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=18.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.8399)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6704)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-124.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7831)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.4234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2273)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0453)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3922)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8995)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=4.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9958)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=8.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1285)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-125.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1965)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5591)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9247)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3866)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9704)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8396)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.9845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2509)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.5464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-95.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-104.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.0304)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3768)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.1909)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4771)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5198)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0324)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.3296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=13.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=5.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6366)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1699)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.6980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7082)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.7207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0768)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=4.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6643)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.5445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3916)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2940)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6386)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2231)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.8044)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=82.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8024)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8562)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=4.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=4.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=7.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=84.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-125.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=83.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=62.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=7.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=62.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=1.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-98.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=12.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-78.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1395)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0512)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7941)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4860)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.6778)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=61.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-124.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=9.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0871)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6226)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=5.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8844)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=61.4708)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=4.2955)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-87.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3360)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3493)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6009)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.8251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=3.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=2.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=4.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=5.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=10.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-28.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1901)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=6.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=80.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=4.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.3080)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0535)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.5367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=1.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.7135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9112)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.2621)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9617)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-111.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-23.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4374)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=5.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-104.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-19.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=7.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-111.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.3502)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6063)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-112.1716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-13.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.9136)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-96.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-13.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=4.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-90.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=58.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=7.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-12.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=3.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-23.5121)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.2002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8922)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-91.4985)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=9.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1316)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-19.0731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=2.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=11.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.0543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5024)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0255)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-108.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-14.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-109.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1524)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4762)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=58.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-118.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-15.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-26.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-24.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=9.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-123.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0747)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-92.9389)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-12.5343)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4393)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0519)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-106.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-121.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-116.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-112.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-17.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-110.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-25.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-26.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-25.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-106.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-10.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=3.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.8596)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=3.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0006)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-22.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3189)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-15.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=11.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-26.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-100.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1518)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8970)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-20.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2458)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=18.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-14.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8354)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0873)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-13.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-11.5838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-99.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.6979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4026)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.6059)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.0707)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=4.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-22.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-17.6204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=1.5720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7461)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9539)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-19.5978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.1722)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7642)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-115.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=2.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.4614)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.0619)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9384)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2949)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-25.2037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4442)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-24.2192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8621)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1072)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-95.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-19.1529)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9602)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7526)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5590)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-111.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-26.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2043)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-112.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3850)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-11.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-112.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=13.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.9832)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-15.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1427)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-21.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-22.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.8166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4257)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3346)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4502)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.4646)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-22.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-11.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-113.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-20.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=80.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-12.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-22.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=1.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=3.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1230)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-10.2203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.5482)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3777)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9057)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2194)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.3826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7587)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6737)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=7.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-10.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=81.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-14.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-124.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-22.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-120.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=80.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=61.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-20.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=7.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=61.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-25.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-100.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-20.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-22.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=3.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-20.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-113.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-25.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-106.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-98.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=11.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-24.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-8.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-78.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-17.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-9.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-80.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-102.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-25.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-105.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-105.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-106.7168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-15.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-22.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-101.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-92.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-117.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-17.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-119.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-112.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-14.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-10.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-116.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=61.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-23.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-92.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-15.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-123.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=2.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-119.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=8.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-25.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-112.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-113.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=4.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-116.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-106.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-116.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=60.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-12.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=4.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-95.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-14.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-114.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-13.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-119.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-87.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-120.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8518)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-6.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=3.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-113.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=2.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-117.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-24.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-26.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-117.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=57.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-25.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-7.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-114.9128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=68.8849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-20.0729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-88.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3773)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-110.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=4.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-16.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-110.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-10.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-120.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=5.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=10.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-110.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-5.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-27.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-110.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-115.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.9518)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=6.8783)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2268)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.7806)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-92.7469)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-4.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-12.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-18.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-93.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-3.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=0.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-2.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BLYPD3M', mode='dfhf_unCP', basis='adz', value=-1.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.0177)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3957)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.8053)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-108.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-90.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=59.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-91.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0339)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1125)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.5435)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-126.3463)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6998)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=59.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-89.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.5737)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-99.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0924)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.2674)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=81.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.6631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6376)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.9159)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.0216)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=18.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.1658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7789)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1886)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6492)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.4413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7547)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.1457)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.3461)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6072)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9802)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.3032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.2045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1942)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2043)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9650)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=55.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8674)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1699)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8836)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5525)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-90.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3737)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3059)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0136)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.3528)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9342)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9765)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4386)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8760)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.0572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6474)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-86.9658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0335)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3981)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1025)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8123)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9009)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9007)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.4811)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.0463)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.5234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2691)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5628)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-89.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=82.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5483)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3605)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-125.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=83.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3259)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-78.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.9396)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9759)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.5648)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.1323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.5015)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9504)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-95.5006)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.3505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0259)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9730)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=58.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3335)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5069)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=70.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.0359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0133)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4453)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.6532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=80.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3272)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-123.2821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4515)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-9.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-14.4074)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=0.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-4.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-4.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=3.7366)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-105.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3458)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-110.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-12.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-18.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-93.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=0.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BLYPD3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-63.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=62.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-81.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=19.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-91.2395)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8824)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-108.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-96.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=6.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-104.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=7.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-108.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-91.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=59.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-71.0131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=9.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=11.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=63.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-28.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-126.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-108.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=58.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=9.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-124.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-89.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-122.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-81.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.2723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-98.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-28.1323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=81.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=67.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2946)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=18.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-124.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.6564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.4994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-125.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-28.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-95.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=89.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-73.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-96.6954)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-78.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=55.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=10.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9973)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-83.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6806)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0288)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5033)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2775)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3675)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2010)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-28.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=77.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3656)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-79.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2601)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=62.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=7.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-95.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-103.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-63.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=76.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9349)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-86.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2549)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6199)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7007)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5615)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=13.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=11.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=23.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=11.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4343)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4592)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-89.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=82.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.4298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.8058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=7.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=84.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-125.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-122.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=83.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=63.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=7.9824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=61.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.1553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-98.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-103.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=61.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.9940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-124.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=9.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=61.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-95.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-87.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=58.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=70.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=10.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-29.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=6.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=80.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8393)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=61.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-81.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=18.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-91.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-21.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-111.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8961)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-107.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-96.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-12.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-101.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=5.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-104.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=7.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-112.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-100.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-114.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-15.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-26.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-112.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-107.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-13.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-96.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=4.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-90.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=58.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=7.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1656)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0236)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.7934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-24.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.0256)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6760)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-101.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-91.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-26.6581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.6423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-71.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=9.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-17.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-10.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-10.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=11.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=62.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-119.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-93.2438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-22.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-117.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-13.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-82.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-122.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-28.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-126.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-100.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-108.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-109.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.9571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-107.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-77.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-15.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=57.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-118.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-24.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-80.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=9.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-123.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-93.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-12.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-107.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-89.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=8.1942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-106.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-122.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-116.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-113.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.7314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-26.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8822)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-17.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-22.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-15.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=11.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-27.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-100.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3897)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4339)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=79.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=5.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-11.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-102.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=67.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-116.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-120.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4304)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7118)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0350)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5123)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7504)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-17.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.7520)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9805)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6906)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.6965)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-123.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-118.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-82.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-109.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6025)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.5395)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-120.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-80.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-24.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-21.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=4.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-22.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=8.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-11.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-11.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-109.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-11.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-96.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-78.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-115.6141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=55.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=9.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-82.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-115.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7404)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1764)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-113.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5857)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-24.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-24.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.7367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2091)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.3084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7568)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-10.1398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6619)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3124)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-89.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-10.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-110.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.4415)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.9187)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4495)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-10.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=12.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-10.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1095)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-119.9172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9298)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-12.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-11.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-118.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=61.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=7.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-15.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-93.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=5.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.8687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-95.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-103.5492)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5336)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-12.5428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.1942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-64.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3591)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0692)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-27.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-86.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-106.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-21.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5641)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-112.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-27.4357)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9831)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5869)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9788)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1932)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6429)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-94.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-26.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-88.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-12.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8605)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0311)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2012)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.9853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0373)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=5.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6983)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=10.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-17.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=21.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.9728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-22.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-123.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0578)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4302)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-104.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-89.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-24.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-21.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-12.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-22.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-11.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-114.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=80.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-12.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-22.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-10.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=4.6434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-114.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-24.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-113.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-115.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=7.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=81.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-125.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-122.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=81.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=62.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.4948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=7.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=61.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-26.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-100.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-22.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=1.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-21.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-113.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-106.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-98.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=12.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-10.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-77.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-79.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-103.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.9368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-104.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-106.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-106.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-8.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-102.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-92.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-117.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-120.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-112.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-15.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-10.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-117.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=61.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-23.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-92.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-15.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-123.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-120.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=8.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-26.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-112.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-6.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-114.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=5.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-116.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-107.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-116.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=60.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-12.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-95.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-14.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-115.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-13.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-119.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-87.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-121.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-113.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-118.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-24.6839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-27.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-117.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=57.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-25.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-7.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-115.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-77.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=69.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-101.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-106.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-116.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-13.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-11.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=2.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-16.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-88.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-109.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=4.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-17.6314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-110.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-9.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-121.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=5.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=10.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-111.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-5.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-28.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-110.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-116.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-112.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=6.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-19.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=79.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=3.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-20.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-92.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-4.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-12.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-18.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-94.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-3.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-0.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-2.3060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BP86D3M', mode='dfhf_unCP', basis='adz', value=-1.1037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2283)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-91.2530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3900)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.6736)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-108.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.8622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-108.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-91.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=59.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-91.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-71.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-126.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-108.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.7636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=58.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-89.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.8673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=82.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=67.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.6794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=18.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-125.4594)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-95.9726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.1683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3132)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.3114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=89.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-73.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.8570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-78.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=55.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.3438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.8721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5355)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.7294)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4422)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.6874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2593)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0963)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4268)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2953)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-78.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-95.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-64.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=76.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-86.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.5604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=13.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=21.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3311)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-89.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=82.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=84.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-125.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=83.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.9492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-79.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.1310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-95.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=58.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=70.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.7126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.9828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=80.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.1645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=61.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-80.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=0.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-16.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=17.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=0.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=2.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=1.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-91.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-21.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-111.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-23.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.1839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1833)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=5.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0362)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3616)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=4.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-90.8507)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=58.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=7.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1110)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.6837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0230)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7528)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.2801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-108.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4584)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-118.4257)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-106.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-122.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-116.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-113.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.9767)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.2156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-109.3837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1578)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6033)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9478)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-125.0239)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8755)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1973)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-21.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=2.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-12.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-19.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1488)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7275)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2652)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-115.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5590)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=8.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.7687)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6977)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3659)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-99.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-20.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-22.7184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=1.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=4.1495)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6039)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-79.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-15.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-123.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=3.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-120.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=9.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0006)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=2.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-16.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-88.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3MBJ', mode='dfhf_unCP', basis='adz', value=-109.7725)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0378)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9662)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3500)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7679)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=11.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.0290)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.9670)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=9.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-124.0576)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-122.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0766)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3322)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8942)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0602)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5965)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5587)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5946)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3600)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9937)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=12.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0105)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8657)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7382)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=2.9225)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-89.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=2.0577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1751)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7573)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.1890)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=8.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=62.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2023)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0794)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.6314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-78.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-29.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.0534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8739)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=5.2794)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-19.4407)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-9.2366)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.1247)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.9109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.5135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.6740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-106.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-122.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-116.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.4792)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-18.9761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.0685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4285)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8746)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3423)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-22.4509)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-16.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=7.7910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=1.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.5386)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-18.7032)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-4.5075)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-117.0450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-22.8899)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.0048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-4.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-124.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-4.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-22.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.7842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9886)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-4.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=62.2146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-20.2544)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.7915)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4890)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.7247)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=7.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=61.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-26.3050)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-8.4761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=1.3186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.0965)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=3.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-21.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-113.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.2573)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.6455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.9754)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-4.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.5398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-106.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.5609)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-98.2268)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.1146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3206)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.8429)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-14.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-23.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-101.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-92.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.7670)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-4.9090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.8908)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-4.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-18.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-120.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.5587)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.9263)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.8985)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-10.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-4.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.1272)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.9021)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-116.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=61.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-23.6640)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.7744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-92.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-16.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=3.2154)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.8352)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.7724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-116.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.3550)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-116.7804)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=61.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-11.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=3.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.0736)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-95.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-14.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-114.7455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-13.2031)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-119.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8680)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.6753)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.7376)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.4716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.6377)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-26.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-117.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=57.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4159)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-25.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-7.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-115.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-77.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.2064)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=69.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-19.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.1614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.3614)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-106.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-116.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-12.8359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-5.7071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.8609)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-3.2437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-6.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-2.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-28.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.7558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBED3M', mode='dfhf_unCP', basis='adz', value=-1.2135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-91.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.8679)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9566)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-83.0145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-126.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.0059)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5708)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1463)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.8563)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=59.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-124.1651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0811)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6392)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-89.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0133)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.8778)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4318)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4298)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1697)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.6606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8626)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.2776)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=81.2298)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-124.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5239)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3104)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7833)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0704)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5281)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6237)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2983)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0418)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-125.6787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4820)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.1572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=77.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0805)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0472)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.8164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7590)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8133)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-95.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5695)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3275)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3996)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3012)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.4884)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=81.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.2886)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2965)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0622)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2992)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.4138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8044)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=83.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-125.2051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0309)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.9849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=82.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2021)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.6441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3133)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-124.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4976)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8965)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4891)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4930)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.7213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-29.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=79.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5049)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-90.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=59.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=7.8033)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=0.1514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-14.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-109.4353)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-118.5456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.3731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-113.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-9.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=1.1514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1789)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9245)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=2.3283)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.0833)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-111.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-27.3749)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.2488)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-18.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-22.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-11.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-114.3263)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-9.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-14.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-124.5509)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-23.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9694)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=80.4280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=62.0906)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=3.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-21.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-113.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-25.7011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-106.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-14.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-23.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-7.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-102.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-92.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8745)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-117.3700)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.5002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=61.3888)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-113.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=4.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-116.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-107.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-116.8640)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=60.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-12.0405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-119.6076)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6998)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-19.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-18.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.6583)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=57.8187)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=5.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=9.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3966)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6824)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=0.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='PBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-61.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=63.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-81.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=18.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7545)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5461)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-96.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6830)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=6.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6999)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-103.9250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7433)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5641)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8964)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.4019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-96.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-90.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=59.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6555)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0697)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6830)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-91.5203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-69.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=10.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=63.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.2426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.9703)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2791)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.7148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5738)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5615)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.4303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7374)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=59.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0399)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7336)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.8884)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4121)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.4958)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8372)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1538)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0749)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0433)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5244)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=13.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-99.8614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-98.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4588)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.8920)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0804)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1588)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=20.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.9511)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9791)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1370)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9747)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1920)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.3257)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.8449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2751)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.6156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.3094)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1216)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.7465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3346)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-125.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-82.5894)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3442)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3121)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3201)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3067)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4013)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=61.9968)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9483)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.2596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.8933)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=14.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.9183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0425)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=6.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=11.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=22.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.8611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7221)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3313)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5863)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0911)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0257)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5599)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=82.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.9220)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.9017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.5312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.2664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.4409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=85.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9962)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-122.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=84.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=63.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=8.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=62.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-100.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-98.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=12.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7452)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0754)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9794)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1285)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2046)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7439)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-79.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-103.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9809)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2814)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.5122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6434)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-102.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.6872)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=62.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=9.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8609)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0049)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-67.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=61.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-95.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8448)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-87.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5848)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.9944)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=3.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.2993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=58.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-76.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=71.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=2.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-120.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=5.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=10.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-29.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.8450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-113.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=7.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=81.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=4.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4710)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5149)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.3098)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.1567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4610)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-114.2675)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4355)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-101.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-91.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-24.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-26.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=0.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-69.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=9.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=3.3315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9921)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-18.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1714)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-9.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=2.0439)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8078)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=62.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-119.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-92.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-23.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-117.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8118)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=0.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-106.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-9.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-20.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-77.3550)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-25.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-20.6879)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6478)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9585)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-92.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-23.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.8361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-106.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-10.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=3.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.1612)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.9446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-18.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-25.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-115.4630)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-17.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-23.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.5516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.9752)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-18.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-110.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-19.6099)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-82.0218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-18.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-20.2927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5792)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7507)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6890)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4076)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-111.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2796)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-21.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-93.3154)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=77.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4872)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=0.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-18.5093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3458)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=0.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-119.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-94.1479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1110)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-103.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-112.0344)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=0.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-20.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5064)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0791)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.2568)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-11.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-113.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=14.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=2.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=5.7637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=1.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-22.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-23.5456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=12.0161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-22.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-11.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-114.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-21.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=81.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-12.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-9.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-14.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-124.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-23.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-122.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=83.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=62.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-20.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-18.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.9861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-9.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5393)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7064)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=0.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=8.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=61.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-26.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8091)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4171)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.2297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-20.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7723)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-23.3186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-8.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0317)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=1.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=4.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-21.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-113.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-25.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-106.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2132)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.8004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-97.9723)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=12.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9443)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.4262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-105.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-106.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-15.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-23.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-7.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-101.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-93.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-117.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-18.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-120.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-112.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1221)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-10.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-117.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=61.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-24.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-92.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-15.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-123.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=3.2290)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-120.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=9.2081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-26.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-111.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-114.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=5.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-116.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-67.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-107.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-116.6448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.3482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=60.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-12.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=4.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=0.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-95.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-14.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-115.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-13.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6625)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.9122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7759)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8988)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-118.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-25.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-19.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-18.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-5.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=1.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-26.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-117.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=57.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-25.9314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-109.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-10.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-120.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=5.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=10.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-110.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9576)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-6.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-28.9116)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9824)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.6070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.5532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-4.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-12.6030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-93.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-2.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='PBE0D3M', mode='dfhf_unCP', basis='adz', value=-3.0249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-90.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=59.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-91.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-69.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-126.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=59.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=13.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-99.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.4256)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7221)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5308)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0568)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.2011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7503)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.0203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=82.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.5738)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=19.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1570)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9118)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.9034)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6370)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9747)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-125.4084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7265)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-72.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.0621)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.6936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=55.4951)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9662)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.3480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2223)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-78.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.1912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-62.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=76.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-86.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9794)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.2469)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-94.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2832)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=14.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.9521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7362)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=22.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6181)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=82.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=85.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-125.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=84.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-98.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=12.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-79.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-67.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-95.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=58.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-76.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=70.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-29.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=81.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=62.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-80.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=0.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-17.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=18.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=0.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=2.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=2.0198)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.4582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-91.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8595)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=5.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7065)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-103.9597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-19.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=7.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-112.3221)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-100.6659)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5181)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-14.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-107.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-13.5266)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6378)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-19.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-17.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-10.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-77.8146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=3.3031)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=11.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.7708)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5461)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=1.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-25.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-81.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-122.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-28.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4770)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-126.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-16.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3616)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-100.7301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-15.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-20.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=1.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2209)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=58.6536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.7556)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2407)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-106.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-88.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=2.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=8.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=1.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-106.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-122.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-116.7576)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.7070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=3.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.1050)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=81.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=5.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-19.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5014)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-10.7114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-123.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-118.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=3.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=2.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-20.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-120.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=3.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-80.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-19.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-25.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=0.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=0.1081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-17.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9399)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-22.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0104)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8358)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.4780)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9985)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0799)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=89.4016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-119.6698)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-113.3413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4942)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-17.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-87.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1852)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=3.3114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3419)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9575)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0350)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-12.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-62.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-21.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-13.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=76.0042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7915)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-27.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-20.8893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-113.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-120.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2557)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=1.0782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=5.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.3959)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=11.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-104.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=0.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4644)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9850)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.9276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-22.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=1.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=3.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1753)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.8357)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=5.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-114.5838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-14.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-124.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-23.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-122.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=83.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=62.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-20.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=0.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=8.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=61.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-26.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-99.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-20.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-23.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-8.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=1.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=4.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-21.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-113.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-26.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-106.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-98.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=12.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2668)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3950)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-9.5718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8968)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4452)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=0.2426)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-106.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.7656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-15.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-23.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-101.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-93.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-117.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-120.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4605)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.2479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-10.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=61.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-24.2142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-92.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-15.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-123.5979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=3.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6783)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8940)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9509)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.5855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.7241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-114.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=5.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-116.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-67.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-107.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-116.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=60.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-12.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=4.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-95.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-14.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-115.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-13.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-119.7625)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0571)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=3.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3844)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-118.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-25.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-19.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=1.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-26.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-117.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=57.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-25.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-7.0691)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-115.6763)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-20.1237)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-106.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-116.4506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-5.6926)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4690)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=4.6707)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-17.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-109.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-10.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-120.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=5.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=10.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-110.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-6.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-28.9745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-110.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-115.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-4.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-112.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=7.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-19.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-19.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=80.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=4.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-20.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=0.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-18.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-92.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2240)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5636)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='PBE0D3MBJ', mode='dfhf_unCP', basis='adz', value=-12.6334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-96.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3087)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3391)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6288)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0362)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=6.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8859)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5233)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9891)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7987)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-107.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-96.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=5.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-89.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=59.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=9.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=5.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-90.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-67.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=11.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=4.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4187)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.5234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=3.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=4.5357)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=13.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8069)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=63.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-91.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.6430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4981)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6829)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-77.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.3298)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.9371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=59.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=11.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-88.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=3.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=9.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-121.6143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-27.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=4.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=4.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=14.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-99.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.7418)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.1957)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3310)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.7754)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7953)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-28.0347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.3296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8753)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=21.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-15.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.4387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3453)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2774)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-123.3985)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-99.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8535)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.8533)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-81.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9335)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=3.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=3.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-80.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8390)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=5.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.7734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=9.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=2.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=2.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-108.7496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2112)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-124.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2998)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9076)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.3903)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.4194)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=13.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-10.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1571)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-93.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.1645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1937)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2668)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=61.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4069)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5404)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3390)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-85.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1873)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.0204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.1161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=4.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-94.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.6124)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9494)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.8554)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.2517)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.0809)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9780)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=3.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=6.7932)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1272)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=6.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=12.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0425)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.3358)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.1447)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=3.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-104.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-87.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-21.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=2.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.2890)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.6358)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=83.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=5.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=5.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-24.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7964)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.9992)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=9.1005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8847)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7385)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9707)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2884)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=85.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=63.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=9.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=62.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-99.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-22.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=4.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-97.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=13.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-76.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-8.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-79.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-103.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-103.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2457)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-104.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2381)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.9340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.3319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7998)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-7.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-14.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=62.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-23.9080)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=10.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8240)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9053)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-111.9402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.0529)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8730)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-67.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-106.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-116.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=61.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=5.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-13.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-118.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0399)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4039)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1811)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=2.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-26.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-117.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=58.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-25.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-6.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-114.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-76.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=71.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=5.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-101.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-105.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.6354)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-11.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=2.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-16.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-87.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=5.8070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-17.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-9.8583)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-119.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0155)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=7.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=11.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-109.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-5.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-28.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-110.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-115.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-4.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-112.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=8.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-19.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=83.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=5.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-20.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=0.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.9571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-3.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-12.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-18.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-92.5402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-2.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.8843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-1.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=1.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='WPBED3M', mode='dfhf_unCP', basis='def2qzvp', value=-0.9003)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=61.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-80.8099)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9598)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-13.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-16.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-107.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-95.9251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-101.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.8956)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-111.7813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7035)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=4.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-18.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=3.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-9.1726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7733)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=2.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-25.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-81.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-122.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-28.0370)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9151)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-126.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-16.5120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-14.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-20.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=1.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.5311)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-18.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=58.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5492)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-26.2369)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5730)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4151)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-12.9620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.2361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0844)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-106.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-88.1582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=8.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1476)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=1.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6427)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6616)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0136)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=4.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-17.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-22.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-15.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.0489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=14.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-26.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-100.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5973)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1271)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4324)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7563)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=5.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-19.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4827)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.8680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-18.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-123.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-117.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=4.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0711)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-16.5801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-82.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0938)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-19.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-119.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=3.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-80.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-18.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-24.8855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-16.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5063)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-22.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1560)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1798)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-92.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-108.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-72.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-11.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-112.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=1.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.8718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4420)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=3.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9026)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.0132)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7618)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-26.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-21.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9188)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2627)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-20.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.6067)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-9.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-105.0258)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-23.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=4.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-94.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-25.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-26.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-87.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-13.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-12.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.4817)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.5288)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.8431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-9.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=6.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=12.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-17.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.3261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0500)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-104.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-87.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-24.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-21.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=2.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-12.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-19.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.5939)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-18.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-22.4914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-113.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-20.5393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=82.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-12.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1144)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-22.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=1.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=4.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9012)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-10.4410)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-114.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-24.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-18.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-113.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-13.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-115.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=8.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-10.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=85.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-9.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-14.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-125.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-22.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-121.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=85.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=62.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-20.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-18.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-9.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.1555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=8.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=61.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-26.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-99.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-20.6468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-22.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=1.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=4.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-20.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-112.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-25.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-105.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-97.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=13.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-25.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-10.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-76.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-17.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-9.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-79.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-103.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-26.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-103.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-18.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-104.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-105.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-8.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-14.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-22.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-101.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-92.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7189)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-117.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-17.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-119.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-111.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-14.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4024)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-116.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=61.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-24.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-92.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-15.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-123.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=3.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-119.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=10.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-25.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-111.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0255)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-113.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9064)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=5.2229)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-116.1280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-67.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-106.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-116.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=60.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-13.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=5.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-94.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-14.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-114.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.5514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-118.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.6096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-86.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-120.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-7.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=4.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-113.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=3.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0968)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-117.4406)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6054)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=1.5109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3105)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=57.9425)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6494)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8921)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-114.9152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-6.0596)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-115.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-12.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-11.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=2.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-17.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-87.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-109.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=5.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-17.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-109.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7151)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-10.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-119.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=6.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.3070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=11.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-109.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-5.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-28.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-110.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-115.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9399)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-4.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-112.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=8.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-19.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-18.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=82.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=5.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-20.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=0.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-3.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-1.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.8293)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-2.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='WPBED3M', mode='dfhf_unCP', basis='adz', value=-92.0720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.8542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9151)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0362)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-95.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0420)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3763)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5593)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7216)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-89.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=59.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.2188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-90.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-68.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=13.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-91.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-122.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-126.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-100.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-107.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-108.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3353)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-77.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7549)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.9583)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3124)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=59.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2836)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.8955)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.2188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8871)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1333)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-88.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-121.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-80.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=14.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-99.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8822)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8129)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-96.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7908)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8073)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0820)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7339)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6687)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.0776)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=68.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.9444)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.9738)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=21.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3888)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-82.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-99.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-81.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-79.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.6730)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5963)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5415)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9708)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-124.8096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6273)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8255)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=92.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.8202)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5966)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9960)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3271)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6705)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4760)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=79.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-91.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-78.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7915)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8778)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.5706)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.0658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.9451)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5946)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=13.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9007)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6434)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1511)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-118.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-93.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8776)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7512)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1121)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9486)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2265)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6065)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-102.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-61.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6713)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.1516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.5718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4808)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4603)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3137)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-27.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7766)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1802)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6566)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.9383)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=15.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0018)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3245)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8328)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0015)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0474)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5763)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.7042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3472)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6094)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0828)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.2188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=13.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.5770)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1719)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=3.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.1755)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.7789)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=83.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-21.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=6.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-13.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-10.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=86.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-124.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=86.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=63.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=9.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-99.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-97.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=13.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-76.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-8.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-79.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-103.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-104.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7216)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7925)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-106.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.9932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-22.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-7.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-14.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=62.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-23.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-15.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-123.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=10.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-111.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1723)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=61.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1393)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-86.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-120.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-113.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=4.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-117.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-24.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-26.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-116.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=58.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-25.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-6.6585)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-114.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-76.3739)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=71.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-101.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-105.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-11.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.1915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=2.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-16.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-87.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-17.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-9.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-119.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=7.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=11.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-109.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-5.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-28.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-110.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-115.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-4.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-112.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=8.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-19.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=83.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=5.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-20.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.5948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=0.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-91.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-3.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-12.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-18.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-92.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.4404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-2.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=1.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='def2qzvp', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-61.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=61.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-80.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=0.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-16.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=18.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=2.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=2.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-90.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-21.7636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-8.2436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5357)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9385)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.5385)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=8.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=61.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-26.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-25.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.6913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2868)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.0800)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-10.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.1482)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.0364)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=5.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-5.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-6.0369)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-101.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-105.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-115.5793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-2.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-1.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-0.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-3.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-4.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-112.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=8.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-19.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='WPBED3MBJ', mode='dfhf_unCP', basis='adz', value=-18.9297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-111.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-103.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-96.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-101.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=6.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-103.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=7.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-101.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-114.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-96.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-90.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=59.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-101.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-91.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-68.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=10.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.9737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-77.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=63.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-92.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-117.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-81.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-122.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-126.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-100.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-109.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-77.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=59.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-118.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-80.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=10.1602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-123.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-92.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-88.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-106.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-122.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-111.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-80.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-27.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-106.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-100.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-97.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-98.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=82.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-102.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=67.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0082)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=19.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-108.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-123.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-118.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-82.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-109.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-99.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-82.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-80.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-109.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-124.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-29.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-95.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=90.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-72.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-96.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-77.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=55.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=10.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-82.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-27.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-111.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-94.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-87.5574)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5097)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=77.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.6423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-92.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-78.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-87.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.7935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-94.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-118.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=61.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=7.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-94.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-103.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-62.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=76.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-97.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-27.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-86.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-105.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-98.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-111.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.4994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=13.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-94.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.1211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-88.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=14.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=6.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-102.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=11.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=23.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-123.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-104.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-104.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-88.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-114.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.3181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=82.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-114.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=85.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-125.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-121.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=84.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=62.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=62.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-100.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-105.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-98.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-77.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-80.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-103.5128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-104.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-105.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-106.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-102.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-117.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-117.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=62.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-123.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=9.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-114.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-67.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=61.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-95.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-87.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-118.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-117.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=58.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-76.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=70.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-102.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-106.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-88.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-109.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=10.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=7.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=81.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-92.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-61.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=61.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-80.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=20.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-91.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-22.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-111.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-16.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-103.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-16.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-107.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-96.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-101.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=6.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-103.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=7.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-111.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-100.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-113.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-112.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-107.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-96.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=4.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-90.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=58.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=8.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-101.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-91.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-24.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-69.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=9.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-77.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=11.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=62.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-118.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-92.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-116.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-12.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-81.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-122.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-28.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-125.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-16.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-100.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-107.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-108.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-106.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-77.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=57.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-117.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-80.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=9.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-122.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-92.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-106.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-88.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=8.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-106.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-122.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-116.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-111.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-80.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-110.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-27.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-106.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=12.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-100.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-97.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-97.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-115.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-22.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-28.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=81.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=5.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-101.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-16.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=67.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-116.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-120.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=19.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-24.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-116.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-108.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-16.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-123.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-117.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-82.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-109.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-99.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-110.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-119.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-114.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-82.1376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-120.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-80.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-22.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=4.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-22.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-16.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=8.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-93.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-108.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-124.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-120.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-29.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-95.6564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=89.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-24.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-73.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-96.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-77.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-115.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=54.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=9.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-82.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-115.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-116.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-27.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-111.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-93.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-12.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-12.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-112.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-24.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-94.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-119.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-119.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-87.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-113.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=5.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-110.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-89.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-109.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-24.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-28.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-117.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=76.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-92.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-78.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-16.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-87.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=12.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-119.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-94.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-118.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=60.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=7.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-93.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=5.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-94.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-103.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-111.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-62.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=75.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-97.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-27.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-85.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-105.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-22.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-24.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-98.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-111.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-28.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-113.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-120.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=5.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=13.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-24.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-95.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-88.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-12.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-112.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-112.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=14.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=5.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-93.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-102.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=5.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=11.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=22.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-22.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-123.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=4.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-22.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=11.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-104.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-104.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-88.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-12.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-113.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=81.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-12.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-22.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=4.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-113.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-24.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-113.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-115.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=7.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=83.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-124.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-121.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=83.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=61.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=7.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=60.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-99.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-21.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-113.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-105.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-98.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=12.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-77.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-9.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-80.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-103.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-103.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-105.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-106.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-23.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-8.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-101.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-93.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-117.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-120.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-111.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-116.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=61.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-24.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-93.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-123.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-119.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=9.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-111.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-113.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=4.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-116.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-68.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-106.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-116.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=60.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-12.9661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=4.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-95.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-15.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-114.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-14.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-119.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-87.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-120.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-113.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=2.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-117.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-26.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-117.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=57.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-25.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-115.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-76.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=69.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=3.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-101.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-106.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-116.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-12.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-11.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=1.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-16.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-88.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-109.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=4.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-17.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-109.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-10.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-120.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=5.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=10.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-109.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-28.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-110.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-115.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-112.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=6.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-19.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=80.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=4.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-20.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-92.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-13.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-18.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-93.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=0.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3M', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-61.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=62.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-80.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=20.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-91.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-111.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.4017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-103.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-96.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-101.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=6.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-103.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=7.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-100.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-114.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-96.7962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-90.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=59.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-101.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-91.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-68.9256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=10.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-77.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=63.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-92.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-81.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-122.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-126.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-100.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-109.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-106.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-77.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=59.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-118.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-80.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=10.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-123.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-92.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-88.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-106.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-122.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-111.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-80.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-27.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-106.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=13.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-99.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-97.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-98.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=82.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-102.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=67.9691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.8857)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0868)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=19.9214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-108.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-123.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.2591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-118.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-82.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-109.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-99.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-82.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-80.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.5445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-108.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-124.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-95.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=90.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-72.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-96.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-77.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=55.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=10.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-82.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-111.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-94.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-87.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=6.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-89.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-117.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=78.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.5828)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-92.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-78.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-87.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-94.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-118.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=61.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=7.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-94.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-103.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-111.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.1104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-62.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=76.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-97.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-86.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-105.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-98.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-111.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-94.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-88.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=14.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=6.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-102.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=11.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=23.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-123.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-104.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-104.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-88.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-114.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=82.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-114.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-13.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-10.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=85.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-124.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-121.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=84.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=62.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=8.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=62.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.9364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-99.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-22.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-8.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-21.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-105.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-98.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=12.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.7734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-77.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.9385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-79.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-103.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-104.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-105.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-106.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-23.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-101.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-117.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-117.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=62.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-24.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-92.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-16.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-123.4622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=9.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-114.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-67.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-107.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=61.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-95.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-14.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-119.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-87.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-6.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-113.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=3.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-118.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=1.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-26.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-117.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=58.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-25.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-7.1273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-76.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=70.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-101.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-106.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-116.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-11.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=2.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-15.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-88.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-109.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-17.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-9.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-120.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=5.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=10.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.5571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-5.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-28.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-110.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-115.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-4.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-112.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=7.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-19.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=81.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=4.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-20.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-92.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-3.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-12.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-18.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-93.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-2.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=0.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='def2qzvp', value=-1.1213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-61.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=61.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-80.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=19.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-91.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-110.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-16.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-103.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-16.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-107.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-96.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-101.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=6.0560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-103.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=7.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-111.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-100.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-113.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-112.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-107.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-96.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=4.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-90.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=58.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=7.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.8680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-101.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-91.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-69.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=9.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.2058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-77.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.8535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=11.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=62.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-118.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-92.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-116.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-12.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-81.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-122.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-28.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-125.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-16.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-100.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-107.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-108.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-106.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-77.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=57.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-117.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-80.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=9.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-122.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-92.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-12.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-106.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-88.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=8.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-106.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-122.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-116.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-111.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-80.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-110.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-27.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-106.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.9905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=12.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-100.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-97.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-97.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-115.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-22.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-28.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=81.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=5.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-101.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-16.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=67.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-116.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-119.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-16.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=19.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-115.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-108.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-122.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-117.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-82.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-109.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-99.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-110.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-119.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-114.6393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-82.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-120.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-80.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-22.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=4.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-22.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-16.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=8.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-93.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-108.8119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-124.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-120.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-29.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-95.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=89.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-73.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-96.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-77.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-115.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=54.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=9.6971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-82.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-115.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-116.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-111.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-93.2436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-12.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-12.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-112.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.4146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-94.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-118.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-119.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-87.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-113.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=5.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-110.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-89.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-109.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-28.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-116.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=77.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-92.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-78.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-16.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-87.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=12.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-119.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-94.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-118.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=60.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=7.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-93.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=5.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-94.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-103.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-111.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-62.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=75.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-97.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-27.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-85.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-105.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-98.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-111.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-28.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-113.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-120.2613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-22.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=5.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=12.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-94.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.9861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-88.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-112.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-112.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=14.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=5.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-93.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-102.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.8372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=5.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=11.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=21.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-22.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-122.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=4.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-22.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=11.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-104.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-104.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-88.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-12.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-22.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-113.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=81.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-12.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-22.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=4.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-113.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-113.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-115.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=8.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=83.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-124.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-121.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=83.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=61.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=7.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=60.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-99.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.0389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-21.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-113.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-105.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-97.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=12.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-77.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-9.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-80.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-103.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-103.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-105.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-106.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-23.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-8.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-101.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-93.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-117.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-120.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-111.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-14.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-116.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=61.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-24.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-92.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-122.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-119.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=9.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.3482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-111.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-113.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=4.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-115.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-68.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-106.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-116.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=60.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=4.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-95.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-15.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-114.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-119.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-87.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-120.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=3.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-113.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=2.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-117.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.2071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-26.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-117.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=57.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-25.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-7.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-115.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-76.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=69.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=4.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-101.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-106.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-115.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-12.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-5.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-11.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=1.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-16.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-88.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-109.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=4.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-17.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-109.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-10.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-120.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=5.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=10.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-109.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-6.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-28.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-110.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-115.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-112.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=7.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-19.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=80.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=4.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-20.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.2672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-92.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-4.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-13.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-18.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-93.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-3.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=0.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-2.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.4080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3MBJ', mode='dfhf_dfmp_unCP', basis='adz', value=-1.8868)
